cyclohexyl-[(2R)-3-[4-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[4-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-3-[4-[[(1-ethylpyrazol-4-yl)methylammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-3-[4-[[(1-ethyl-4-pyrazolyl)methylammonio]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-3-[4-[[(1-ethylpyrazol-4-yl)methylazaniumyl]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-3-[4-[[(1-ethylpyrazol-4-yl)methylammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-methyl-ammonium Formula: C24H40N4O3+2 MolecularWeight: 432.5994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OCC(C[NH+](C)C3CCCCC3)O)OC

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]CC2=CC(=C(C=C2)OC[C@@H](C[NH+](C)C3CCCCC3)O)OC

InChI

InChI=1S/C24H38N4O3/c1-4-28-16-20(15-26-28)14-25-13-19-10-11-23(24(12-19)30-3)31-18-22(29)17-27(2)21-8-6-5-7-9-21/h10-12,15-16,21-22,25,29H,4-9,13-14,17-18H2,1-3H3/p+2/t22-/m1/s1